Basic information
- CAS
54211-61-9- Standard SMILES
CSC1=NN(c2ccccc2)C(C)N1c1ccccc1- InChIKey
QKKCRWJOWFZHIF-UHFFFAOYSA-N- Molecular formula
- C16H17N3S
- Average molar mass
- 283.4 g/mol
- Monoisotopic mass
- 283.11431873
Names & identifiers
- Preferred name
- 1H-1,2,4-Triazole, 4,5-dihydro-5-methyl-3-(methylthio)-1,4-diphenyl-
- IUPAC
- 3-methyl-5-methylsulfanyl-2,4-diphenyl-3H-1,2,4-triazole
Names & synonyms
54211-61-91H-1,2,4-Triazole, 4,5-dihydro-5-methyl-3-(methylthio)-1,4-diphenyl-SCHEMBL9064559DTXSID204802445-Methyl-3-(methylsulfanyl)-1,4-diphenyl-4,5-dihydro-1H-1,2,4-triazole
Database identifiers
- CAS
54211-61-9- PubChem CID
- 12201616
- DTXSID
DTXSID20480244
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 346
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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